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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Does the Iron K and Alpha: Line of Active Galactic Nuclei Arise from the Cerenkov Line-like Radiation?

When thermal relativistic electrons with isotropic distribution of velocities move in a gas region or impinge upon the surface of a cloud that consists of a dense gas or doped dusts, the Cerenkov effect produces peculiar atomic or ionic emission lines, which is known as the Cerenkov line - like radiation. This newly recognized emission mechanism may find wide applications in high-energy astrophysics. In this paper we tentatively adopt this new line emission mechanism to discuss the origin of the iron Kα feature of active galactic nuclei (AGNs). The motivation of this research is to attempt a solution to a problem encountered by the "disk fluorescence line" model, i.e. , the lack of temporal response of the observed iron Kα line flux to the changes of the X-ray continuum flux. If the Cerenkov line emission is indeed responsible significant ly for the iron Kα feature, the conventional scenario around the central supermassive black holes of AGNs would need to be modified to accomodate more energetic, more violent, and much denser environments than previously thought.

You, J. H.↗
NASA NTRS2004

Iron K Lines from Accretion Disks: Models for Line Production and Spectroscopic Constraints

Measured profiles of the iron K lines provide important dynamical information about emitting matrial in compact objects. However, much of the modeling work which has been used to infer the location and origin of line observed from AGN and galactic black hole sources is based on highly simplified assumptions about the microphysics of K line emission. In particular, many of the intrinsic line energies, widths and emissivities are based on central-field atomic calculations. We present the results of new calculations of the quantities for the entire iron isonuclear sequence, and demonstrate that the intrinsic K line spectra contain considerably more complexity than has been previously considered. We also present calculations of iron K emission and absorption spectra which include the new data, including the local spectrum radiated from an X-ray illuminated accretion disk. The implications for the interpretation of observed iron K lines from black hole sources will be discussed.

Kallman, Timothy↗
NASA NTRS2005

Atom Resonance Lines for Modeling Atmosphere: Studies of Pressure-Broadening of Alkali Atom Resonance Lines for Modeling Atmospheres of Extrasolar Giant Planets and Brown Dwarfs

We report on progress made in a joint program of theoretical and experimental research to study the line-broadening of alkali atom resonance lines due to collisions with species such as helium and molecular hydrogen. Accurate knowledge of the line profiles of Na and K as a function of temperature and pressure will allow such lines to serve as valuable diagnostics of the atmospheres of brown dwarfs and extra-solar giant planets. A new experimental apparatus has been designed, built and tested over the past year, and we are poised to begin collecting data on the first system of interest, the potassium resonance lines perturbed by collisions with helium. On the theoretical front, calculations of line-broadening due to sodium collisions with helium are nearly complete, using accurate molecular potential energy curves and transition moments just recently computed for this system. In addition we have completed calculations of the three relevant potential energy curves and associated transition moments for K - He, using the MOLPRO quantum chemistry codes. Currently, calculations of the potential surfaces describing K-H2 are in progress.

Hasan, Hashima↗
DOE OSTI2018

Improvement of Transmission Line Ampacity Utilization by Weather-Based Dynamic Line Rating

Most of the existing overhead transmission lines (TLs) are assigned a static rating by considering the conservative environmental conditions (e.g., high ambient temperature and low wind speed). Such a conservative approach often results in underutilization of line ampacity because the worst conditions prevail only for a short period of time during the year. Dynamic line rating (DLR) utilizes local meteorological conditions and grid loadings to adaptively compute additional line ampacity headroom that may be available due to favorable local environmental conditions. This paper details Idaho National Laboratory-developed weather-based DLR, which utilizes a state-of-the-art general line ampacity state solver for real-time computation of thermal ratings of TLs. Performance of the proposed DLR solution is demonstrated in existing TL segments at AltaLink, Canada, and the potential benefits of the proposed DLR for enhanced transmission ampacity utilization are quantified. Moreover, we investigated a hypothetical case for emulating the impact of an additional wind plant near the test grid. Furthermore, the results for the given system and data configurations demonstrated that real-time ratings were above the seasonal static ratings for at least 76.6% of the time, with a mean increase of 22% over the static rating, thereby demonstrating huge potential for improvement on ampacity utilization.

17 WIND ENERGY↗
DOE OSTI2018

Line shape parameters of air-broadened water vapor transitions in the nu(1) and nu(3) spectral region

A Bruker IFS-120HR Fourier transform spectrometer located at the Pacific Northwest Laboratory (PNNL) in Richland, Washington was used to record a series of spectra of pure H2O and air-broadened H2O in the regions of the ¦1 and ¦3 bands (3450-4000 cm-1) at different pressures, mperatures and volume mixing ratios of H2O in air. 18 high-resolution, high signal- to-noise (S/N) ratio absorption spectra were recorded at T = 268, 296 and 353 K using two temperature-controlled absorption cells with path lengths of 9.906(1) and 19.95(1) cm. The resolution of the spectra recorded with the 9.906 cm and 19.95 cm absorption cells was 0.006 and 0.008 cm-1, respectively. A multispectrum nonlinear least squares fitting technique was employed to fit all the eighteen spectra simultaneously to retrieve 313 accurate line positions, 315 intensities, 229 Lorentz air-broadened half- width and 213 air-shift coefficients and their temperature dependences (136 for air-broadened width and 128 for air-shift coefficients, respectively). Room temperature self-broadened half-width coefficients for 209 transitions and self-shift coefficients for 106 transitions were also measured. Line mixing coefficients were experimentally determined for isolated sets of 10 transition pairs for H2O-air and 8 transition pairs for H2O-H2O using the off-diagonal relaxation matrix element formalism, and 85 quadratic speed dependence parameters were measured. Modified Complex Robert-Bonamy (MCRB) calculations of self-, and air-broadened (from N2- and O2-broadening) half-width and air-shift coefficients, and temperature dependence exponents of air-broadened half-width coefficients are made. The measurements and calculations are compared with each other and with similar parameters reported in the literature.

H2O, spectral line shapes, air-broadening, tempera↗
DOE OSTI2023

The j and k dependencies of the line coupling and line mixing effects: Theoretical studies of the relaxation matrices of N 2 -broadened CH 3 D

Line coupling and line mixing effects in parallel and perpendicular bands of CH 3 D perturbed by N 2 have been studied. The work focuses on exhibiting the j and k dependencies of these two processes. The calculations were based on a previously reported anisotropic intermolecular potential including both the long-range multipole, induction, and dispersion forces and a short-range atom-atom model. Throughout this work, it is shown that components with L 1 = 3 of the atom-atom model are dominant contributions to the diffusion operator. As a consequence, in comparison with other molecular systems such as the CH 3 Cl-N 2 and CH 3 I-N 2 , theoretically predicted line coupling and line mixing effects exhibit completely new j and k dependencies. In general, the theoretically calculated halfwidths and intra-doublets’ off-diagonal elements of the relaxation matrix are in reasonable agreement with measurements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2023

The J and K Dependencies of the Line Coupling and Line Mixing Effects: Theoretical Studies of the Relaxation Matrices of N 2 -Broadened Ch 3 D

Line coupling and line mixing effects in parallel and perpendicular bands of CH 3 D perturbed by N 2 have been studied. The work focuses on exhibiting the j and k dependencies of these two processes. The calculations were based on a previously reported anisotropic intermolecular potential including both the long-range multipole, induction, and dispersion forces and a short-range atom-atom model. It is shown that components with L 1 = 3 of the atom-atom model are dominant contributions to the diffusion operator. As a consequence, in comparison with other molecular systems such as the CH 3 Cl-N 2 and CH 3 I-N 2 , theoretically predicted line coupling and line mixing effects exhibit completely new j and k dependencies. In general, the theoretically calculated halfwidths and intra-doublets’ off-diagonal elements of the relaxation matrix are in reasonable agreement with measurements.

Methane-d↗
DOE OSTI2019

Solving scattering problems in the half-line using methods developed for scattering in the full line

We reduce the solution of the scattering problem defined on the half-line [0,∞) by a real or complex potential v(x) and a general homogeneous boundary condition at x=0 to that of the extension of v(x) to the full line that vanishes for x<0. We find an explicit expression for the reflection amplitude of the former problem in terms of the reflection and transmission amplitudes of the latter. We obtain a set of conditions on these amplitudes under which the potential in the half-line develops bound states, spectral singularities, and time-reversed spectral singularities where the potential acts as a perfect absorber. We examine the application of these results in the study of the scattering properties of a δ-function potential and a finite barrier potential defined in [0,∞), discuss optical systems modeled by these potentials, and explore the configurations in which these systems act as a laser or perfect absorber. In particular, we derive an explicit formula for the laser threshold condition for a slab laser with a single mirror and establish the surprising fact that a nearly perfect mirror gives rise to a lower threshold gain than a perfect mirror. We also offer a nonlinear extension of our approach which allows for utilizing a recently developed nonlinear transfer matrix method in the full line to deal with finite-range nonlinear scattering interactions defined in the half-line.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Relationship between the line of density anomaly and the lines of melting, crystallization, cavitation, and liquid spinodal in coarse-grained water models

Liquid water has several anomalous properties, including a non-monotonous dependence of density with temperature and an increase of thermodynamic response functions upon supercooling. Four thermodynamic scenarios have been proposed to explain the anomalies of water, but it is not yet possible to decide between them from experiments because of the crystallization and cavitation of metastable liquid water. Molecular simulations provide a versatile tool to study the anomalies and phase behavior of water, assess their agreement with the phenomenology of water under conditions accessible to experiments, and provide insight into the behavior of water in regions that are challenging to probe in the laboratory. Here we investigate the behavior of the computationally efficient monatomic water models mW and mTIP4P/2005{sup REM}, with the aim of unraveling the relationships between the lines of density extrema in the p-T plane, and the lines of melting, liquid-vapor spinodal and non-equilibrium crystallization and cavitation. We focus particularly on the conditions for which the line of density maxima (LDM) in the liquid emerges and disappears as the pressure is increased. We find that these models present a retracing LDM, same as previously found for atomistic water models and models of other tetrahedral liquids. The low-pressure end of the LDM occurs near the pressure of maximum of the melting line, a feature that seems to be general to models that produce tetrahedrally coordinated crystals. We find that the mW water model qualitatively reproduces several key properties of real water: (i) the LDM is terminated by cavitation at low pressures and by crystallization of ice I{sub h} at high pressures, (ii) the LDM meets the crystallization line close to the crossover in crystallization from ice I{sub h} to a non-tetrahedral four-coordinated crystal, and (iii) the density of the liquid at the crossover in crystallization from ice I{sub h} to a four-coordinated non-tetrahedral crystal coincides with the locus of maximum in diffusivity as a function of pressure. The similarities in equilibrium and non-equilibrium phase behavior between the mW model and real water provide support to the quest to find a compressibility extremum, and determine whether it presents a maximum, in the doubly metastable region.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Ab initio quantum scattering calculations and a new potential energy surface for the HCl( X 1Σ+)–O2(X3Σg−) system: Collision-induced line shape parameters for O2-perturbed R(0) 0–0 line in H35Cl

The remote sensing of abundance and properties of HCl—the main atmospheric reservoir of Cl atoms that directly participate in ozone depletion—is important for monitoring the partitioning of chlorine between “ozone-depleting” and “reservoir” species. Such remote studies require knowledge of the shapes of molecular resonances of HCl, which are perturbed by collisions with the molecules of the surrounding air. In this work, we report the first fully quantum calculations of collisional perturbations of the shape of a pure rotational line in H35Cl perturbed by an air-relevant molecule [as the first model system we choose the R(0) line in HCl perturbed by O2]. The calculations are performed on our new highly accurate HCl(X1Σ+)–O2(X3Σg−) potential energy surface. In addition to pressure broadening and shift, we also determine their speed dependencies and the complex Dicke parameter. This gives important input to the community discussion on the physical meaning of the complex Dicke parameter and its relevance for atmospheric spectra (previously, the complex Dicke parameter for such systems was mainly determined from phenomenological fits to experimental spectra and the physical meaning of its value in that context is questionable). We also calculate the temperature dependence of the line shape parameters and obtain agreement with the available experimental data. We estimate the total combined uncertainties of our calculations at 2% relative root-mean-square error in the simulated line shape at 296 K. This result constitutes an important step toward computational population of spectroscopic databases with accurate ab initio line shape parameters for molecular systems of terrestrial atmospheric importance.

Chemistry↗
DOE OSTI2025

XRISM Constraints on Unidentified X-Ray Emission Lines, Including the 3.5 keV Line, in the Stacked Spectrum of 10 Galaxy Clusters

We stack 3.75 Ms of early XRISM Resolve observations of 10 galaxy clusters to search for unidentified spectral lines in the E = 2.5–15 keV band (rest frame), including the E = 3.5 keV line reported in earlier low spectral resolution studies of cluster samples. Such an emission line may originate from the decay of the sterile neutrino, a warm dark matter (DM) candidate. No unidentified lines are detected in our stacked cluster spectrum, with the 3σ upper limit on the m s ∼ 7.1 keV DM particle decay rate (which corresponds to an E = 3.55 keV emission line) of Γ ∼ 1.0 × 10 −27 s −1 . This upper limit is 3–4 times lower than the one derived by Hitomi Collaboration from the Perseus observation but still 5 times higher than the XMM-Newton detection reported by E. Bulbul et al. in the stacked cluster sample. XRISM Resolve, with its high spectral resolution but small field of view, may reach the sensitivity needed to test the XMM-Newton cluster sample detection by combining several years worth of future cluster observations.

Astronomy and AstroPhysics↗
DOE OSTI2017

The long-solved problem of the best-fit straight line: application to isotopic mixing lines

Abstract. It has been almost 50 years since York published an exact and general solution for the best-fit straight line to independent points with normally distributed errors in both x and y. York's solution is highly cited in the geophysical literature but almost unknown outside of it, so that there has been no ebb in the tide of books and papers wrestling with the problem. Much of the post-1969 literature on straight-line fitting has sown confusion not merely by its content but by its very existence. The optimal least-squares fit is already known; the problem is already solved. Here we introduce the non-specialist reader to York's solution and demonstrate its application in the interesting case of the isotopic mixing line, an analytical tool widely used to determine the isotopic signature of trace gas sources for the study of biogeochemical cycles. The most commonly known linear regression methods – ordinary least-squares regression (OLS), geometric mean regression (GMR), and orthogonal distance regression (ODR) – have each been recommended as the best method for fitting isotopic mixing lines. In fact, OLS, GMR, and ODR are all special cases of York's solution that are valid only under particular measurement conditions, and those conditions do not hold in general for isotopic mixing lines. Using Monte Carlo simulations, we quantify the biases in OLS, GMR, and ODR under various conditions and show that York's general – and convenient – solution is always the least biased.

58 GEOSCIENCES↗
NASA NTRS1987

A computer code to calculate line by line atmospheric transmission spectra on a microcomputer

A computer program is described which calculates line by line atmospheric transmission spectra on a microcomputer. Radiance calculations are not included. The program is written in FORTRAN and could be modified to run on a microcomputer other than the one on which it was implemented, except that the plotting routine would have to be replaced. The program is based on the 1978 Air Force Geophysics Laboratory LASER routine, and uses absorption line data from the 1982 update of the AFGL Atmospheric Absorption Line Parameters Compilation; segments of needed line data are taken from the tape, preprocessed into the form used by the program and stored on floppy disks. The program calculates transmission spectra over a variety of paths and spanning an arbitrarily chosen wavelength or frequency range; the path may be chosen to be horizontal, vertical or slanted at any zenith angle, and may extend between any two altitudes between 0 and 15 km. Aerosol effects are included, presently based on the 1976 Shettle and Fenn models, plus some molecular continuum effects and Rayleigh scattering.

Safren, H. G.↗
NASA NTRS1987

Emission-line variability and the broad-line region of quasi-stellar objects. I - Time scales and photon densities

Spectroscopic data for five low-redshift QSOs taken over several years are presented as evidence for emission-line variability in QSOs. The broad hydrogen emission lines in the QSOs 0026 + 129, 1202 + 281, 1612 + 261, and 2141 + 175 are found to vary in step with their underlying continua. Another QSO, 2135 - 147, shows an increase in the intensities of its hydrogen lines five years after the increase in its continuum level. The inferred upper limit to the size of the broad emission line region is smaller than 3 lt-yr, probably as small as 0.4 lt-yr for 0026 + 129, if the line-emitting region is spherically distributed. Such a small size implies a very high density of ionizing photons, of the order of 10 to the 10th/cu cm. A very high nucleon density must then be assumed in order to obtain a value of the ionization parameter consistent with current photoionization models.

Zheng, Wei↗
NASA NTRS1991

Compton backscattered 511 keV annihilation line emission and the 170 keV line from the Galactic center direction

It is shown that Compton scattering of 511 keV electron-positron annihilation radiation produces a linelike reflection feature at 170 keV from backscattered photons. Assuming simple models of clouds and accretion disks around a compact source, the paper explores the spectrum of Compton-scattered annihilation line emission for a range of geometries, opacities, and observing angles, and finds that the linelike feature is produced under a wide variety of conditions. It is further shown that such Compton backscattering of slightly redshifted annihilation line emission from the inner edge of an accretion disk could account for the 170 keV line emission and higher energy continuum observed together with the 511 keV annihilation radiation from the direction of the Galactic center. Identification of the observed 170 keV line as a slightly redshifted annihilation line reflection feature provides strong new evidence that the source of this emission is a compact object surrounded by a disk of presumably accreting matter.

Lingenfelter, Richard E.↗
NASA NTRS1992

Numerical simulation and analysis of a prefrontal squall line. I - Observations and basic simulation results. II - Propagation of the squall line as an internal gravity wave

Results of an observational and numerical study of the squall line that occurred on June 17-18, 1978, are presented. This squall line was initially triggered by the strong surface convergence along a cold front and stretched from Illinois to the Texas Panhandle. The squall line was aligned with the surface front during its initial development, but then propagated faster than the front, resulting in a separation of approximately 200 km by 0300 UTC and 300-400 km by 0600 UTC. The Colorado State University Regional Atmospheric Modeling System is used to model the squall-line development and propagation. Results are described from several experiments that tested the sensitivity to the use of the Kuo-type cumulus parameterization scheme and grid-scale microphysical processes. The movement of the squall line in the model is shown to be due to the propagation of a deep tropospheric internal gravity wave in a CISK-like process. The thermal and dynamic perturbations associated with the hypothesized wave are shown to be consistent with internal gravity wave theory.

Cram, Jennifer M.↗
NASA NTRS1992

The formation of helioseismology lines. III - Partial redistribution effects in weak solar resonance lines

This paper investigates the formation of the Na I D2, K I 769.9 nm and Ba II 455.4 nm resonance lines in the solar atmosphere allowing for partial frequency redistribution (PRD). We show that the influence of PRD is negligible on the solar disk in all three lines for a model of the average quiet-Sun, and even for the more extreme case of a model with a steeper photospheric temperature decline. At the solar limb PRD does affect the intensity profile of the Na I and Ba II resonance lines, but not that of the K I line. Finally, we find that effects of PRD are more pronounced at the limb in the Na I D2 and Ba II 455.4 nm lines when the photospheric temperature gradient is steep.

Uitenbroek, H.↗